N-(3-ethynylphenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(3-ethynylphenyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(3-ethynylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3-ethynylphenyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(3-ethynylphenyl)isonipecotamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-2-16-7-6-8-18(15-16)21-20(23)17-11-13-22(14-12-17)26(24,25)19-9-4-3-5-10-19/h1,3-10,15,17H,11-14H2,(H,21,23)